SCHEMBL19627520

SCHEMBL19627520

CCc1cc(F)c2[nH]cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
PARP1 P09874 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCT Q16769 2/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
NR0B1 P51843 1/20 0.31
QPCTL Q9NXS2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9222057 0.80 NPC1 (0.35) MAPTPARP1NPC1RAB9ALMNA
SCHEMBL20910116 0.79 MAPT (0.36) MAPTPARP1NPC1RAB9ALMNA
SCHEMBL25822673 0.76 HSPA5 (0.40) NPC1RAB9ALMNATP53HTT
SCHEMBL539264 0.76 PARP1 (0.41) MAPTPARP1QPCT
SCHEMBL788965 0.75 MAPT (0.41) MAPTPARP1QPCT
SCHEMBL23227827 0.72 MAPT (0.47) MAPTPARP1
SCHEMBL2411729 0.72 MAPT (0.39) MAPTPARP1NPC1RAB9AHTT
SCHEMBL15756185 0.71 MAPT (0.36) MAPTPARP1
SCHEMBL12320219 0.71 MAPT (0.36) MAPTPARP1
SCHEMBL6956994 0.71 MAPT (0.41) MAPTPARP1RAB9ATP53QPCT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 MAPT 57/4885PARP1 4000/4885NPC1 2687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.